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Compound Detail

CHEMBL512997

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CCOC(=O)c1cnn(CC(C)O)c1NC(=O)Nc1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512997
Phase Preclinical
Structure Type MOL
InChI Key NGSQMHFHNWXHLS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.22
ALogP
6
HBA
3
HBD
105.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19FN4O4
MW 350.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19362486 10.1016/j.bmc.2009.03.035 Mus musculus 4
19362486 10.1016/j.bmc.2009.03.035 Neutrophil 3
19362486 10.1016/j.bmc.2009.03.035 ADMET 1

Data from ChEMBL 36 via Core Engine